Information card for entry 7025655

Structure parameters

• Formula: C32 H36 Cl N2 Sm
• Calculated formula: C32 H36 Cl N2 Sm
• SMILES: C1(C)(C)c2ccc3C(C)(C)[c]45[cH]6[Sm]5789%10%11%12%13%14%15%16(n23)(Cl)n2c(C(C)(C)[c]68[cH]9[cH]%10[cH]4%11)ccc2C(C)(C)[c]2%12[cH]7[c]1%13[cH]%14[cH]%15[cH]2%16
• Title of publication: Samarium complexes of a sigma-/pi-pyrrolide/arene based macrocyclic ligand.
• Authors of publication: Ilango, Sougandi; Vidjayacoumar, Balamurugan; Gambarotta, Sandro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6853 - 6857
• a: 19.09 ± 0.03 Å
• b: 14.994 ± 0.011 Å
• c: 10.206 ± 0.011 Å
• α: 90°
• β: 109.89 ± 0.13°
• γ: 90°
• Cell volume: 2747 ± 6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No